Determine point group





Number of atoms 4
Sum formula BF3
Molecular weight 68.00









Rotational Analysis
Rotational Constant A (GHz) 12.3153
Rotational Constant B (GHz) 12.3153
Rotational Constant C (GHz) 6.1577
Ray's asymmetry parameter 1.0000
Classification : Symmetric top (oblate)




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 F 9 1.200000 0.000000 0.000000
2 B 5 0.000000 0.000000 0.000000
3 F 9 -0.600000 1.039230 0.000000
4 F 9 -0.600000 -1.039230 0.000000









Determined point group D3h
Subgroups
(Number of different orientations)
Cs (2) , C2 , C3 , D3 , C2v , C3v , C3h



3N representation
group E 2C3 (z) 3C'2 h (xy) 2S3 3v -
D3h 12 0 -2 4 -2 2 Submit
Cs 12 - - 4 - - Submit
Cs 12 - - - - 2 Submit
C2 12 - -2 - - - Submit
C3 12 0 - - - - Submit
D3 12 0 -2 - - - Submit
C2v 12 - -2 4 - 2 Submit
C3v 12 0 - - - 2 Submit
C3h 12 0 - 4 -2 - Submit









Determine point group from cartesian coordinates Character tables for chemically important point groups Determine point group from internal coordinates